An official website of the United States government
This paper describes a generalizable framework for creating context-aware wall-time prediction models for HPC applications. This framework: (a) cost-effectively generates comprehensive application-specific training data, (b) provides an application-independent machine learning pipeline that trains different regression models over the training datasets, and (c) establishes context-aware selection criteria for model selection. We explain how most of the training data can be generated on commodity or contention-free cyberinfrastructure and how the predictive models can be scaled to the production environment with the help of a limited number of resource-intensive generated runs (we show almost seven-fold cost reductions along with better performance). Our machine learning pipeline does feature transformation, and dimensionality reduction, then reduces sampling bias induced by data imbalance. Our context-aware model selection algorithm chooses the most appropriate regression model for a given target application that reduces the number of underpredictions while minimizing overestimation errors. Index Terms—AI4CI, Data Science Workflow, Custom ML Models, HPC, Data Generation, Scheduling, Resource Estimations
more »
« less
Feature-Wise Bias Amplification
We study the phenomenon of bias amplification in classifiers, wherein a machine learning model learns to predict classes with a greater disparity than the underlying ground truth. We demonstrate that bias amplification can arise via inductive bias in gradient descent methods resulting in overestimation of importance of moderately-predictive weak'' features if insufficient training data is available. This overestimation gives rise to feature-wise bias amplification -- a previously unreported form of bias that can be traced back to the features of a trained model. Through analysis and experiments, we show that the while some bias cannot be mitigated without sacrificing accuracy, feature-wise bias amplification can be mitigated through targeted feature selection. We present two new feature selection algorithms for mitigating bias amplification in linear models, and show how they can be adapted to convolutional neural networks efficiently. Our experiments on synthetic and real data demonstrate that these algorithms consistently lead to reduced bias without harming accuracy, in some cases eliminating predictive bias altogether while providing modest gains in accuracy.
more »
« less
- Award ID(s):
- 1704845
- PAR ID:
- 10095676
- Date Published:
- Journal Name:
- International Conference on Learning Representations (ICLR)
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
More Like this
-
-
Feature acquisition in predictive modeling is an important task in many practical applications. For example, in patient health prediction, we do not fully observe their personal features and need to dynamically select features to acquire. Our goal is to acquire a small subset of features that maximize prediction performance. Recently, some works reformulated feature acquisition as a Markov decision process and applied reinforcement learning (RL) algorithms, where the reward reflects both prediction performance and feature acquisition cost. However, RL algorithms only use zeroth-order information on the reward, which leads to slow empirical convergence, especially when there are many actions (number of features) to consider. For predictive modeling, it is possible to use first-order information on the reward, i.e., gradients, since we are often given an already collected dataset. Therefore, we propose differentiable feature acquisition (DiFA), which uses a differentiable representation of the feature selection policy to enable gradients to flow from the prediction loss to the policy parameters. We conduct extensive experiments on various real-world datasets and show that DiFA significantly outperforms existing feature acquisition methods when the number of features is large.more » « less
-
null (Ed.)Machine learning algorithms can learn mechanisms of antimicrobial resistance from the data of DNA sequence without any a priori information. Interpreting a trained machine learning algorithm can be exploited for validating the model and obtaining new information about resistance mechanisms. Different feature extraction methods, such as SNP calling and counting nucleotide k-mers have been proposed for presenting DNA sequences to the model. However, there are trade-offs between interpretability, computational complexity and accuracy for different feature extraction methods. In this study, we have proposed a new feature extraction method, counting amino acid k-mers or oligopeptides, which provides easier model interpretation compared to counting nucleotide k-mers and reaches the same or even better accuracy in comparison with different methods. Additionally, we have trained machine learning algorithms using different feature extraction methods and compared the results in terms of accuracy, model interpretability and computational complexity. We have built a new feature selection pipeline for extraction of important features so that new AMR determinants can be discovered by analyzing these features. This pipeline allows the construction of models that only use a small number of features and can predict resistance accurately.more » « less
-
We consider feature selection for applications in machine learning where the dimensionality of the data is so large that it exceeds the working memory of the (local) computing machine. Unfortunately, current large-scale sketching algorithms show poor memory-accuracy trade-off in selecting features in high dimensions due to the irreversible collision and accumulation of the stochastic gradient noise in the sketched domain. Here, we develop a second-order feature selection algorithm, called BEAR, which avoids the extra collisions by efficiently storing the second-order stochastic gradients of the celebrated Broyden-Fletcher-Goldfarb-Shannon (BFGS) algorithm in Count Sketch, using a memory cost that grows sublinearly with the size of the feature vector. BEAR reveals an unexplored advantage of second-order optimization for memory-constrained high-dimensional gradient sketching. Our extensive experiments on several real-world data sets from genomics to language processing demonstrate that BEAR requires up to three orders of magnitude less memory space to achieve the same classification accuracy compared to the first-order sketching algorithms with a comparable run time. Our theoretical analysis further proves the global convergence of BEAR with O(1/𝑡) rate in 𝑡 iterations of the sketched algorithm.more » « less
-
Fast inference of numerical model parameters from data is an important prerequisite to generate predictive models for a wide range of applications. Use of sampling-based approaches such as Markov chain Monte Carlo may become intractable when each likelihood evaluation is computationally expensive. New approaches combining variational inference with normalizing flow are characterized by a computational cost that grows only linearly with the dimensionality of the latent variable space, and rely on gradient-based optimization instead of sampling, providing a more efficient approach for Bayesian inference about the model parameters. Moreover, the cost of frequently evaluating an expensive likelihood can be mitigated by replacing the true model with an offline trained surrogate model, such as neural networks. However, this approach might generate significant bias when the surrogate is insufficiently accurate around the posterior modes. To reduce the computational cost without sacrificing inferential accuracy, we propose Normalizing Flow with Adaptive Surrogate (NoFAS), an optimization strategy that alternatively updates the normalizing flow parameters and surrogate model parameters. We also propose an efficient sample weighting scheme for surrogate model training that preserves global accuracy while effectively capturing high posterior density regions. We demonstrate the inferential and computational superiority of NoFAS against various benchmarks, including cases where the underlying model lacks identifiability. The source code and numerical experiments used for this study are available at https://github.com/cedricwangyu/NoFAS.more » « less
- Free Publicly Accessible Full Text
-
Accepted Manuscript1.0
- Conference Paper:
- The DOI is not currently available.
